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116089-38-4 | Benzenethiol, 2-[(phenylmethyl)thio]-
CAS No: 116089-38-4 Catalog No: AG000BLG MDL No:
Product Description
Catalog Number:
AG000BLG
Chemical Name:
Benzenethiol, 2-[(phenylmethyl)thio]-
CAS Number:
116089-38-4
Molecular Formula:
C13H12S2
Molecular Weight:
232.3644
IUPAC Name:
2-benzylsulfanylbenzenethiol
InChI:
InChI=1S/C13H12S2/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-9,14H,10H2
InChI Key:
XYYNELMNALXEMP-UHFFFAOYSA-N
SMILES:
Sc1ccccc1SCc1ccccc1
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.038g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.359g/mol
Monoisotopic Mass:
232.038g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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